
 CHEMBL3786841

 63 68  0  0  0  0  0  0  0  0999 V2000
   10.4952   13.2290    5.5248 C   0  0  0  0  0
    9.9672   13.4844    4.2277 O   0  0  0  0  0
    9.8456   12.4017    3.4017 C   0  0  0  0  0
    9.6873   12.7018    2.0481 C   0  0  0  0  0
    9.5737   11.6802    1.0987 C   0  0  0  0  0
    9.6037   10.3365    1.4927 C   0  0  0  0  0
    9.7325   10.0466    2.8597 C   0  0  0  0  0
    9.8526   11.0690    3.8079 C   0  0  0  0  0
    9.5317    9.2762    0.4968 C   0  0  0  0  0
    9.4679    9.3348   -0.8193 N   0  0  0  0  0
    9.5044    8.0292   -1.2728 N   0  0  0  0  0
    9.5816    7.2631   -0.2007 C   0  0  0  0  0
    9.5864    7.9904    0.9611 O   0  0  0  0  0
    9.7105    5.8203   -0.1284 C   0  0  0  0  0
    9.7496    5.2049    0.9408 O   0  0  0  0  0
    9.8245    5.1372   -1.3139 N   0  0  0  0  0
    9.6816    5.5040   -2.7028 C   0  0  0  0  0
    9.7720    4.0050   -3.0469 C   0  0  0  0  0
    9.9461    3.7140   -1.5451 C   0  0  0  0  0
    8.5914    3.4560   -3.6824 O   0  0  0  0  0
    8.6074    2.1221   -4.0016 C   0  0  0  0  0
    7.4294    1.4109   -3.7777 C   0  0  0  0  0
    7.3346    0.0706   -4.1620 C   0  0  0  0  0
    8.4163   -0.5649   -4.7867 C   0  0  0  0  0
    9.6024    0.1567   -4.9852 C   0  0  0  0  0
    9.6939    1.4977   -4.6078 C   0  0  0  0  0
    8.3155   -1.9936   -5.2712 C   0  0  0  0  0
    8.7923   -2.9605   -4.2739 N   0  0  0  0  0
    8.8172   -4.3092   -4.8690 C   0  0  0  0  0
    8.0074   -4.8443   -3.6704 C   0  0  0  0  0
    7.7022   -3.3565   -3.3592 C   0  0  0  0  0
    6.8221   -5.7271   -4.0066 C   0  0  0  0  0
    6.6076   -6.4465   -2.6942 C   0  0  0  0  0
    7.9286   -6.7191   -2.2119 O   0  0  0  0  0
    8.7621   -5.6032   -2.5883 C   0  0  0  0  0
   10.6573   14.1932    6.0159 H   0  0  0  0  0
   11.4625   12.7178    5.4656 H   0  0  0  0  0
    9.7859   12.6607    6.1351 H   0  0  0  0  0
    9.6684   13.7404    1.7258 H   0  0  0  0  0
    9.4719   11.9443    0.0473 H   0  0  0  0  0
    9.7498    9.0143    3.2070 H   0  0  0  0  0
    9.9452   10.7879    4.8513 H   0  0  0  0  0
   10.5102    6.1093   -3.0812 H   0  0  0  0  0
    8.7247    5.9762   -2.9400 H   0  0  0  0  0
   10.6807    3.8153   -3.6315 H   0  0  0  0  0
    9.1507    3.1297   -1.0753 H   0  0  0  0  0
   10.9248    3.3157   -1.2628 H   0  0  0  0  0
    6.5781    1.9031   -3.3149 H   0  0  0  0  0
    6.4053   -0.4662   -3.9887 H   0  0  0  0  0
   10.4557   -0.3202   -5.4630 H   0  0  0  0  0
   10.6073    2.0367   -4.8322 H   0  0  0  0  0
    8.9364   -2.0757   -6.1746 H   0  0  0  0  0
    7.2906   -2.1984   -5.6123 H   0  0  0  0  0
    9.8249   -4.7239   -4.9797 H   0  0  0  0  0
    8.3066   -4.4155   -5.8353 H   0  0  0  0  0
    6.6909   -3.0388   -3.6423 H   0  0  0  0  0
    7.8636   -3.0443   -2.3216 H   0  0  0  0  0
    7.1013   -6.4514   -4.7814 H   0  0  0  0  0
    5.9346   -5.1847   -4.3439 H   0  0  0  0  0
    6.0944   -5.8137   -1.9618 H   0  0  0  0  0
    6.0524   -7.3809   -2.8125 H   0  0  0  0  0
    8.9495   -5.0019   -1.6933 H   0  0  0  0  0
    9.7140   -6.0098   -2.9428 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
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 14 16  1  0  0  0
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 21 26  1  0  0  0
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 29 30  1  0  0  0
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 31 56  1  0  0  0
 31 57  1  0  0  0
 32 33  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 33 34  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 34 35  1  0  0  0
 35 62  1  0  0  0
 35 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3786841

>  <PubChem CID>
71226277

>  <Formula>
C26H28N4O5

>  <Molecular Weight>
476.533000

>  <IUPAC Name>
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]methanone

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)CCOC6

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)CCOC6

>  <InChI Std. ID>
InChI=1S/C26H28N4O5/c1-32-20-8-4-19(5-9-20)23-27-28-24(35-23)25(31)30-13-22(14-30)34-21-6-2-18(3-7-21)12-29-15-26(16-29)10-11-33-17-26/h2-9,22H,10-17H2,1H3

>  <InChI Key>
LXEBBSCEMHHDNI-UHFFFAOYSA-N

